Article
Chemistry, Analytical
Kelly L. Wormwood Moser, Gregory Van Aken, Daniel DeBord, Nathan Galen Hatcher, Laura Maxon, Melissa Sherman, Lihang Yao, Kim Ekroos
Summary: Defects in sphingolipid metabolism serve as a common link in various neurodegenerative disorders, and a better understanding of lipid content presents opportunities for the development of new therapeutic targets and biomarkers.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Multidisciplinary
Yao Qian, Xiangyu Guo, Yunfang Wang, Zheng Ouyang, Xiaoxiao Ma
Summary: A mobility-modulated sequential dissociation (MMSD) strategy was developed for mass spectrometry imaging, enabling spatial lipidomics capable of multiplexed MS/MS imaging of 24 structurally distinct lipids. The method revealed a potential biomarker in a human hepatocellular carcinoma tissue.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Analytical
Jia-Hui Wen, An-Qi Guo, Meng-Ning Li, Hua Yang
Summary: In this study, we developed a structural similarity networking assisted collision cross-section prediction interval filtering strategy for ion mobility coupled with mass spectrometry (IM-MS) analysis of complex matrix. This strategy utilizes automatic regression prediction statistics and filtering intervals to filter potential compounds and characterize their chemical structures. Experimental validation with Ginkgo biloba extract and dripping pills showed that this strategy performed better than other similar strategies, enabling efficient analysis of complex IM-MS data and comprehensive chemical profiling of complex matrix.
ANALYTICA CHIMICA ACTA
(2023)
Article
Biochemical Research Methods
Brock R. Juliano, Brandon T. Ruotolo
Summary: Quantitative mass spectrometry is widely used to evaluate molecule concentrations in biological matrices. A new approach, using native ion-mobility MS and collision induced unfolding, allows for label-free quantification of isomass proteins. This method can rapidly separate and detect multiple biomacromolecule isoforms, providing a way to measure the concentrations of biotherapeutics and sequence homologues.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Review
Biochemistry & Molecular Biology
Anthony Abou-Dib, Frederic Aubriet, Jasmine Hertzog, Lionel Vernex-Loset, Sebastien Schramm, Vincent Carre
Summary: Petroleomics is a method that uses mass spectrometry to study bio-oils and related products, aiming to analyze the contributions of various compounds in complex samples. The latest developments have altered the nature of non-targeted analyses, but one chemical formula may hide a range of isomeric compounds, making the identification of chemical functions crucial for bio-oil upgrading.
Review
Chemistry, Analytical
Daniel G. Delafield, Gaoyuan Lu, Cameron J. Kaminsky, Lingjun Li
Summary: Mass spectrometry-based biomolecular analyses have become popular in research settings. Gas phase ion separation techniques provide a fourth dimension of analysis, enabling rapid characterization and high throughput profiling. This review highlights the latest developments and applications of high-end ion-mobility enabled instruments and their advantages for biomolecular research.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Applied
Minna Juvonen, Edwin Bakx, Henk Schols, Maija Tenkanen
Summary: This study investigated the potential of using TWIMS and CID-TWIMS-MS/MS to separate cereal-derived isomeric arabinoxylanoligosaccharides (A)XOS. The triand pentasaccharide isomers were distinguishable by the ATDs of the precursor ions, while CID-TWIMS-MS/MS could effectively separate isomeric fragment ions produced from tetra- and pentasaccharide (A)XOS. The base peak mobility spectrum was also introduced as a practical tool for (A)XOS fingerprinting.
Article
Chemistry, Multidisciplinary
Karen E. Butler, Yoshihiko Takinami, Adam Rainczuk, Erin S. Baker, Blaine R. Roberts
Summary: Native mass spectrometry combined with IMS-MS technology can be used to study the tertiary and quaternary structure of proteins, validate other structural determination methods, and provide more comprehensive structural information.
FRONTIERS IN CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Jan Leipert, Philipp T. Kaulich, Max K. Steinbach, Britta Steer, Konrad Winkels, Christine Blurton, Matthias Leippe, Andreas Tholey
Summary: Researchers have developed a sample preparation method based on protein aggregation and acidic elution, allowing for sensitive protein identification analysis of single nematodes on a digital microfluidics device. Compared to in-tube sample preparation, this method increases proteoform identifications by 46%. Label-free quantification also reveals changes in proteoform abundance that cannot be distinguished by bottom-up proteomics. This workflow facilitates proteoform-focused analysis on limited availability samples.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Analytical
Katie M. Kohoutek, Peter de B. Harrington
Summary: Electrospray ionization ion mobility mass spectrometry (ESI-IMS-MS) is a rapidly progressing analytical technique that examines complex compounds in the gas phase. It separates isomers, provides structural information, and quantitatively identifies various compounds in biological samples. ESI-IMS-MS has wide applications in pharmaceutical, environmental, and manufacturing industries.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Ludwig R. Sinn, Sven H. Giese, Marchel Stuiver, Juri Rappsilber
Summary: Ion-mobility spectrometry has the potential to solve analytically challenging research questions by adding an extra separation dimension to liquid chromatography-mass spectrometry. By using machine learning, the understanding of field asymmetric waveform ion-mobility spectrometry for the analysis of cross-linked peptides has been deepened and ideal compensation voltages correlating with chromatography fraction number have been identified.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Jake Breen, Mahin Hashemihedeshi, Roshanak Amiri, Frank L. Dorman, Karl J. Jobst
Summary: Gas chromatography multiplexed with cyclic ion mobility mass spectrometry is a comprehensive two-dimensional separation technique that can resolve compounds that would otherwise coelute in a single-dimension separation. The present study demonstrates a method to mitigate wrap-around in cyclic ion mobility, allowing for non-targeted interpretation of experiments while maintaining the benefits of peak capacities.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Javier Sastre Torano, Oier Aizpurua-Olaizola, Na Wei, Tiehai Li, Luca Unione, Gonzalo Jimenez-Oses, Francisco Corzana, Victor J. Somovilla, Juan M. Falcon-Perez, Geert-Jan Boons
Summary: This study introduces a method to identify isomeric N-glycans based on gas phase conformer distributions, using well-defined synthetic glycans for systematic research and calculating CD fingerprints through molecular dynamics simulations to establish a library for structure identification.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Review
Chemistry, Analytical
Hector Guillen-Alonso, Ignacio Rosas-Roman, Robert Winkler
Summary: 3D-printing has revolutionized rapid prototyping in analytical chemistry, particularly in ion studies where custom components and gadgets significantly enhance existing mass spectrometry systems. The fast turnover of design improvements enabled by permissive licenses has led to a community-driven development, offering economic advantages for public research and education.
ANALYTICAL METHODS
(2021)
Article
Food Science & Technology
Sha Yan, Xuan Wang, Minghui Sun, Wenqian Wang, Liming Wu, Xiaofeng Xue
Summary: Royal jelly is a popular nutraceutical with unique lipid composition, including phospholipids and trans-10-hydroxy-2-decenoic acid. This study found that the lipid composition of royal jelly is influenced by its botanical origin.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Biochemical Research Methods
Ellen D. Inutan, Dean R. Jarois, Christopher B. Lietz, Tarick J. El-Baba, Efstathios A. Elia, Santosh Karki, Andjoe A. S. Sampat, Casey D. Foley, David E. Clemmer, Sarah Trimpin
Summary: By studying ubiquitin using IMS-MS with new ionization processes and different ion sources, researchers were able to compare mass-to-charge and drift time measurements for ubiquitin ions obtained through different ionization methods and found both similarities and differences in the structural features within the elongated distribution of structures. This suggests that the protein structures observed with ESI- or MAI-generated ions may not necessarily reflect the solution structures of the protein prior to ionization.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Calvin A. Austin, Ellen D. Inutan, Brian C. Bohrer, Jing Li, Joshua L. Fischer, Kanchana Wijerathne, Casey D. Foley, Christopher B. Lietz, Daniel W. Woodall, Lorelie F. Imperial, David E. Clemmer, Sarah Trimpin, Barbara S. Larsen
Summary: Ion mobility spectrometry mass spectrometry is able to separate differently branched multiply charged ions of star-branched poly(ethylene glycol) oligomers regardless of the ionization method used. The detailed structural characterization of isomers of the star-branched compositions was achieved using a home-built high-resolution ESI IMS-MS instrument. This approach allows for improved gas-phase separations and potential spatially resolved measurements compared to traditional ionization methods.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Daniel W. Woodall, Lucas W. Henderson, Shannon A. Raab, Kenji Honma, David E. Clemmer
Summary: The thermal denaturation of holomyoglobin in solution was characterized using ion mobility spectrometry and mass spectrometry techniques to investigate stability and structural changes. Two experimental approaches were utilized to induce thermal denaturation, highlighting the stabilizing effects of heme binding on the protein's stability.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Chemistry, Multidisciplinary
Shannon A. Raab, Tarick J. El-, Daniel W. Woodall, Wen Liu, Yang Liu, Zane Baird, David A. Hales, Arthur Laganowsky, David H. Russell, David E. Clemmer
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2020)
Editorial Material
Biochemical Research Methods
David H. Russell, David E. Clemmer
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Mirela Sarbu, Ligia Petrica, David E. Clemmer, Zeljka Vukelic, Alina D. Zamfir
Summary: GBM is a malignant and highly aggressive brain tumor with aberrant cell-surface glycosylation patterns in nearly all tumor cells. Profiling of ganglioside mixtures from GBM specimens revealed over 160 distinct components, dominated by GD3 and GT1 forms. The presence of GT1c(d18:1/24:1) was identified as a potential GBM marker for the first time using high performance ion mobility separation mass spectrometry.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Shannon A. Raab, Tarick J. El-Baba, Arthur Laganowsky, David H. Russell, Stephen J. Valentine, David E. Clemmer
Summary: The article discusses the impact of differences in time scales between protons and proteins on the conformation trapping during the electrospray process. It highlights the mechanisms of conformational changes and proton exchange at different time scales, as well as the immobilization of protons specific to protein conformations in the vacuum of the mass spectrometer.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemistry & Molecular Biology
Mirela Sarbu, Dragana Fabris, Zeljka Vukelic, David E. Clemmer, Alina D. Zamfir
Summary: Gangliosides play an important role in the central nervous system and can be used as diagnostic markers and potential therapeutic agents. Ion mobility separation mass spectrometry and IMS tandem mass spectrometry were used to study gangliosides in human central nervous system and cerebrospinal fluid. The results demonstrate the potential of IMS MS/MS in biomarker discovery and characterization, and its application in early diagnosis of CNS diseases through molecular fingerprints.
Article
Biochemical Research Methods
Zhi-chao Zhang, David A. Hales, David E. Clemmer
Summary: Diketopiperazine (DKP) formation is an important degradation pathway for peptides and proteins. The kinetics of peptide cleavage through DKP formation have been analyzed for different model peptides at multiple elevated temperatures. The results show that the degradation rate is influenced by the properties of the amino acid residues, with charged or polar side chains leading to faster degradation and nonpolar alkyl side chains providing stability. The stability of the peptides is influenced by various factors, including the presence of bulky groups on the alpha carbon and the preference for cis proline bond favored by the aromatic N-terminus.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemistry & Molecular Biology
Mirela Sarbu, Raluca Ica, Edie Sharon, David E. Clemmer, Alina D. Zamfir
Summary: CS/DS play crucial roles in the extracellular matrix, and the structural analysis of their domains is essential; IMS MS technique can identify novel CS/DS species and provide important diagnostic fragment ions.
Article
Biochemical Research Methods
Mirela Sarbu, Raluca Ica, Edie Sharon, David E. Clemmer, Alina D. Zamfir
Summary: In this study, an advanced glycomics method based on ion mobility separation mass spectrometry and tandem mass spectrometry was used to characterize the chondroitin sulfate disaccharide domains in BGN. Five distinct disaccharide motifs were identified in BGN, with four showing irregular sulfation patterns. Trisulfated unsaturated and bisulfated saturated disaccharides were found, the latter indicating the non-reducing end of the chains. Structural investigation revealed a rare bisulfated motif, 3-O-sulfated GlcA-4-O-sulfated GalNAc, at the non-reducing end of one or both CS/DS chains in BGN. The influence of these newly identified sequences on cancer cell spreading will be investigated in future studies.
JOURNAL OF MASS SPECTROMETRY
(2023)
Meeting Abstract
Biochemical Research Methods
Jonathan C. Trinidad, Xuyao Zeng, David E. Clemmer
MOLECULAR & CELLULAR PROTEOMICS
(2022)
Article
Biochemistry & Molecular Biology
Xuyao Zeng, Milos Novotny, David E. Clemmer, Jonathan C. Trinidad
Summary: A substantial shortcoming of large-scale datasets is the difficulty in representing and visualizing key features, particularly in the study of glycopeptides and glycans. This paper presents a simple and concise graphical representation method to capture the microheterogeneity of glycan modification at specific sites, and provides visual illustrations of glycans and glycopeptides from various species.
Meeting Abstract
Biochemistry & Molecular Biology
M. Sarbu, Z. Vukelic, D. E. Clemmer, A. D. Zamfir
Article
Chemistry, Multidisciplinary
Santu Bera, Xuewei Dong, Bankala Krishnarjuna, Shannon A. Raab, David A. Hales, Wei Ji, Yiming Tang, Linda J. W. Shimon, Ayyalusamy Ramamoorthy, David E. Clemmer, Guanghong Wei, Ehud Gazit
Summary: This study explores the molecular basis behind the high solubility of the tripeptide Ala-Phe-Ala, demonstrating its unexpectedly high water solubility and unique structure. The research provides insight into the structural basis of solubility and offers a simple and feasible tool for estimation, with implications for peptide drug design, peptide materials, and advancing peptide nanotechnology.
CELL REPORTS PHYSICAL SCIENCE
(2021)